BioLiP

PDB

BioLiP

PDB CCD ID:

BP2

Number of entries in BioLiP:

Chemical formula:

C10 H17 O7 P2

InChI:

InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/t7-,8+,10+/m1/s1

InChIKey:

VZPAJODTZAAANV-WEDXCCLWSA-K

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1(C2CCC1(C(C2)OP(=O)([O-])OP(=O)([O-])[O-])C)C
CACTVS 3.341	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)O[P]([O-])(=O)O[P]([O-])([O-])=O
OpenEye OEToolkits 1.5.0	CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C
CACTVS 3.341	CC1(C)[CH]2CC[C]1(C)[CH](C2)O[P]([O-])(=O)O[P]([O-])([O-])=O

Name:

(+)-BORNYL DIPHOSPHATE

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).